UCSF

ZINC44686354

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.47 8.24 -36.95 2 3 1 23 286.443 5
Hi High (pH 8-9.5) 2.47 9.36 -33.51 2 3 1 20 286.443 5
Lo Low (pH 4.5-6) 2.47 10.59 -112.14 3 3 2 24 287.451 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )